2-(3,4-dichlorophenyl)-4-methylpyrimidine

C11H8Cl2N2 — CID 21025841

IUPAC2-(3,4-dichlorophenyl)-4-methylpyrimidine
SMILESCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H8Cl2N2/c1-7-4-5-14-11(15-7)8-2-3-9(12)10(13)6-8/h2-6H,1H3
InChIKeyWSGYBBJLLQJRMY-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.76
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4-methylpyrimidine

2-(3,4-dichlorophenyl)-4-methylpyrimidine (PubChem CID 21025841) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-methylpyrimidine
PubChem CID21025841
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name2-(3,4-dichlorophenyl)-4-methylpyrimidine
SMILESCc1ccnc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H8Cl2N2/c1-7-4-5-14-11(15-7)8-2-3-9(12)10(13)6-8/h2-6H,1H3
InChIKeyWSGYBBJLLQJRMY-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-methylpyrimidine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-methylpyrimidine (CID 21025841) is 2-(3,4-dichlorophenyl)-4-methylpyrimidine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-methylpyrimidine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-methylpyrimidine is Cc1ccnc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-methylpyrimidine?
The InChIKey is WSGYBBJLLQJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c1-7-4-5-14-11(15-7)8-2-3-9(12)10(13)6-8/h2-6H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-methylpyrimidine?
2-(3,4-dichlorophenyl)-4-methylpyrimidine has a molecular weight of 239.11 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-methylpyrimidine is sourced from PubChem (CID 21025841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).